REMARK  Name = BDB015104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.455  -1.454  -0.628  0.00  0.00    -0.489 OA
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -3.655  -0.427   0.781  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1       -2.438  -0.458   0.079  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.602  -1.580   0.107  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.984  -2.700   0.842  0.00  0.00    +0.045 A 
ATOM      6  C   LIG    1       -3.188  -2.692   1.549  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -4.014  -1.567   1.519  0.00  0.00    +0.009 A 
BRANCH   2  11
ATOM      8  C   LIG    1       -8.187   1.587  -0.019  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -6.737   1.754   0.332  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1       -5.888   0.636   0.387  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.530   0.757   0.738  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1       -4.055   2.041   1.042  0.00  0.00    +0.131 A 
ATOM     13  F   LIG    1       -2.772   2.224   1.393  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -4.887   3.158   1.007  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -6.228   3.015   0.659  0.00  0.00    +0.006 A 
ENDBRANCH   2  11
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1        0.503  -2.511  -0.532  0.00  0.00    +0.261 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.765  -2.164  -1.338  0.00  0.00    +0.166 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.490  -2.248  -2.745  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1        2.127  -1.632  -3.161  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1        2.315  -0.757  -1.013  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.448  -0.383  -1.896  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1        3.796   1.045  -1.721  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        4.579   1.361  -0.464  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        5.336   0.368   0.187  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1        6.080   0.697   1.328  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        6.092   2.006   1.808  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.357   2.994   1.157  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.297  -1.058  -0.301  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1        4.608   2.675   0.025  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        4.665  -1.190  -1.695  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 7